Perturbation theory for the square-well dimer fluid

An analytical equation of state is presented for the square-well dimer fluid of variable well width (1 ≤ λ ≥ 2) based on Barker-Henderson perturbation theory using the recently developed analytical expression for radial distribution function of hard dimers. The integral in the first- and the second-order perturbation terms utilizes the Tang, Y and Lu, B. C.-Y., 1994, J. chem. Phys., 100, 6665 formula for the Hilbert transform. To test the equation of state, NVT and Gibbs ensemble Monte Carlo simulations for square-well dimer fluids are performed for three different well widths (λ = 1.3, 1.5 and 1.8). The prediction of the perturbation theory is also compared with that of thermodynamic perturbation theory in which the equation of state for the square-well dimer is written in terms of that of square-well monomers and the contact value of the radial distribution function.     

ANALYTICAL AND NUMERICAL STUDY ON SPATIAL FREE VIBRATION OF NON-SYMMETRIC THIN-WALLED CURVED BEAMS

For spatial free vibration of non-symmetric thin-walled circular curved beams, an accurate displacement field is introduced by defining all displacement parameters at the centroidal axis and three total potential energy functionals are consistently derived by degenerating the potential energy for the elastic continuum to that for thin-walled curved beams. The closed-form solutions are newly obtained for in-plane and out-of-plane free vibration analysis of monosymmetric curved beams respectively. Also, two thin-walled curved beam elements are developed using the third and fifth order Hermitian polynomials. In order to illustrate the accuracy and the practical usefulness of the present method, analytical and numerical solutions by this study are presented and compared with previously published results or solutions by ABAQUS' the shell element. Particularly, effects of the thickness curvature as well as the inextensional condition are investigated on free vibration of curved beams with monosymmetric and non-symmetric cross-sections.     

Synthesis of 3-Benzyloxy-6-methyl-7-methoxyphenanthrene-9-carboxaldehyde with Utilize Intramolecular Heck Reaction as the Key Step

The substituted phenanthrene-9-carboxyaldehydes are very important intermediates for the syntheses of phenanthroindolizidine and phenanthroquinolizidine alkaloids. The novel title compound was prepared from the reaction of 5 steps starting from the condensation of 3-methoxyl-4-methyl-phenylacetic acid and 4-（benzyloxy）-2-iodobenzaldehyde, followed by esterification, cyclization, reduction, and oxidation. A new method for the preparation of phenanthrene ring via palladium-catalyzed intramolecular Heck reaction was described. The title compound was characterized by IR, ^1H NMR, ^13C NMR, elemental analysis, and MS.     

In Situ Generation of Cationic Methylzirconium Complexes from rac-(EBI)Zr(NMe2)2 and NMR-Scale Polymerization of Propylene

ABSTRACT

Sequential NMR-scale reactions have been carried out in order to generate cationic methylzirconium complexes by the reaction of rac-(EBI)Zr(NMe₂)₂ (rac- 1 , EBI = Et(indenyl)₂) with methylaluminoxane (MAO) or various anionic compounds. By reacting 40 equiv. of MAO with rac- 1 in an NMR tube containing CD ₂CI₂ as a solvent at room temperature, rac- 1 is completely activated to give stable cationic methylzirconium complexes, [(EBI)ZrMe]⁺[MAO]^? which polymerize propylene to isotactic polypropylene (iPP). The formation of the cationic species is achieved after rac- 1 is methylated to form rac-(EBI)ZrMe₂ (rac- 2 ) by MAO and/or free Al₂Me₆ contained in MAO. The same sequential reaction has been performed by using rac(EBI)ZrCl₂ (rac- 3 ) for the comparison. MAO cannot generate the cationic species at the same reaction conditions in the reaction of rac- 3 and MAO, mainly due to the difficulties of methylation of rac- 3. Ansa ziconocene amide rac- 1 is stoichiometrically methylated by 2 equiv. of Al₂Me₆ to give rac- 2. Introduction of 1 equiv. of noncoordinating to the solution mixture of rac- 1 and 2 equiv. of Al₂Me₆ leads to the formation of stable cationic methylzirconium species, [rac-(EBI)Zr(μ-Me)₂AlMe₂]⁺. NMR-scale polymerizations have been carried out by adding a small amount of liquid propylene to these cationic species. The meso pentad values of iPP isolated in these polymerizations are in the range of 80.2–84.7%. By changing the order of sequential reaction, i.e., by reacting rac- 1 with noncoordinating anions prior to methylation by Al₂Me₆, the yield to give cationic methylzirconium species is decreased. Coordinative anions such as [HNMe₂Ph][BPh₄] and [HNBu₃][BP₄] are less effective for the generation of the active zirconium cations than noncoordinating anions. The amount of MAO needed to activate rac- 1 can be decreased by the pre-methylation of rac- 1 by Al₂Me₆.     

基于粗糙近似的Web事务聚类改进算法

针对现有Web使用记录挖掘方法发现的知识和规则存在不精确或不完全的问题,提出了一种改进的基于粗糙近似的Web事务聚类算法.该算法首先对原有算法得到的每个类,用关系矩阵找出在这个类中不满足传递性的对象,然后在该对象的集合(类)上用关系矩阵找出在这个类中不满足传递性的对象,再对每个类进行分割,使其满足关系R的传递性,克服了现有算法不满足关系的传递性和在某些情况下得到的结果不准确的缺点.     

Shockwave Visualization Using Holographic Interferometer

High-speed holographic interferometry was employed to visualize and record Shockwave phenomena. We performed three kinds of holographic interferometry for visualization and recording of the propagation of a Shockwave: a real-time holographic interferometer with a high-speed framing camera, a real-time holographic interferometer with a high-speed streak camera and a double-pulse laser holographic interferometer with a dual-reference-beam module. The experimental results were compared and their advantages and disadvantages are discussed. The experimental results clearly show the high-speed Shockwave propagation and give the feasibility of quantitative interpretation of high-speed gas-dynamics.     

可紫外光固化的聚乙烯基硅氮烷合成与表征

采用带丙烯酸酯基团的烯丙基溴化合物(4-溴丁烯酸乙酯)和聚乙烯基硅氮烷发生取代反应,实现了丙烯酸酯基团在聚乙烯基硅氮烷主链上的链接.采用质子核磁共振谱(1H-NMR)和二维质子核磁共振谱(2D-1H-1H-NMR)对分子结构进行了表征,采用光学差热分析仪(Photo-DSC)和傅立叶转换红外光谱仪(FT-IR)测试了改性高分子的光敏性能,用热重分析仪(TGA)分析了产物在高纯氮气氛围下的陶瓷收率.结果表明,通过分子改性,交联固化时间从改性前的20min减少到1min之内,功能化的聚乙烯基硅氮烷可以在光刻蚀工艺中作为负性光刻胶使用.     

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采用谱单元方法推导带阻尼梁的传递函数矩阵. 采用一维连续梁的解析解作为动力形状函 数. 与有限元法相比,谱单元方法的自由度和单元数目小且计算精度高. 传递函数表示为梁 的几何和物理参数的超越隐函数,不同于用模态参数表示的传统传递函数. 提出了采用遗传 算法的结构物理参数识别方法. 以变截面悬臂梁为数值算例,显示该方法的有效性.     

VIBRATION-BASED DAMAGE IDENTIFICATION USING RECONSTRUCTED FRFS IN COMPOSITE STRUCTURES

This work aims to establish a vibration-based damage identification method for fiber-reinforced laminated composites and their sandwich construction. This new on-line structural damage identification technique uses the structural dynamic system reconstruction method exploiting the frequency response functions (FRFs) of a damaged structure. To verify the effectiveness of this damage identification method, the frequency responses obtained by vibration testing of fatigue-damaged laminated composites and honeycomb sandwich beams with debonding are examined according to the extent of the damage via the fatigue-damage load cycle for laminated composites, and via the debonding extent for honeycomb sandwich beams. The changes of the peaks and valley of the FRFs according to the debonding extent and the fatigue load cycles are examined, and the area changes in the FRFs are also discussed as the damage index. The residual FRFs or the difference between intact and damaged FRFs are newly defined for application of the on-line damage identification method. Finally, the delamination extent for the sandwich beams and the fatigue damage level for the laminated composites can be easily identified in terms of the changes in natural frequencies and damping ratios of the reconstructed FRFs for these damaged composite structures.